SCHEMBL4650183

SCHEMBL4650183

O=C1CCc2[nH]ncc2N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 5/20 0.40
NPC1 O15118 2/20 0.39
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
CYP11B1 P15538 6/20 0.37
CYP11B2 P19099 6/20 0.37
PDE3B Q13370 3/20 0.37
PDE3A Q14432 3/20 0.37
CYP2C9 P11712 2/20 0.37
CYP1A2 P05177 2/20 0.37
TBXAS1 P24557 2/20 0.37
CYP2D6 P10635 1/20 0.36
CYP2B6 P20813 1/20 0.36
CYP2C19 P33261 1/20 0.36
CA9 Q16790 1/20 0.35
MAPT P10636 3/20 0.33
KIF11 P52732 2/20 0.33
ALDH1A1 P00352 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15829266 0.88 CRBN (0.44) CRBNNPC1MAPK13MAPK12MAPK11
SCHEMBL13373460 0.81
SCHEMBL30731334 0.76 NPC1 (0.37) CRBNNPC1MAPK13MAPK12MAPK11
SCHEMBL6339658 0.69 GSK3B (0.30)
SCHEMBL28881580 0.68 DAPK3 (0.36) CRBNCCNA2CDK2CCNA1
SCHEMBL11835957 0.67 CRBN (0.40) CRBNNPC1MAPK13MAPK12MAPK11
SCHEMBL29618843 0.65 CYP11B1 (0.41) CYP11B1CYP11B2PDE3BPDE3ACYP2C9
SCHEMBL5944129 0.65
SCHEMBL1494651 0.64 MAOB (0.44) CYP11B1CYP11B2PDE3BPDE3AHTT
SCHEMBL6099018 0.64 NPC1 (0.45) CRBNNPC1MAPK13MAPK12MAPK11

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104277039-A Substitute butynyl-containing pyrazolopiperidone compound and composition and use thereof GUANGDONG HEC PHARMACEUTICAL 2015-01-14 CN disclosed
CN-104277039-A Substitute butynyl-containing pyrazolopiperidone compound and composition and use thereof GUANGDONG HEC PHARMACEUTICAL 2015-01-14 CN disclosed
CN-104277040-A Acyl piperazinone substituent-containing pyrazolopiperidone compound and composition and use thereof GUANGDONG HEC PHARMACEUTICAL 2015-01-14 CN disclosed
CN-104277041-A Methyl substituted aromatic ring substituent-containing pyrazolopiperidone compound and composition and use thereof GUANGDONG HEC PHARMACEUTICAL 2015-01-14 CN disclosed
CN-104277041-A Methyl substituted aromatic ring substituent-containing pyrazolopiperidone compound and composition and use thereof GUANGDONG HEC PHARMACEUTICAL 2015-01-14 CN disclosed
CN-104277037-A Spiro-containing pyrazolopiperidone compound and composition and use thereof GUANGDONG HEC PHARMACEUTICAL 2015-01-14 CN disclosed
CN-104277038-A Oxime substituent-containing pyrazolopiperidone compound and composition and use thereof GUANGDONG HEC PHARMACEUTICAL 2015-01-14 CN disclosed
CN-104277038-A Oxime substituent-containing pyrazolopiperidone compound and composition and use thereof GUANGDONG HEC PHARMACEUTICAL 2015-01-14 CN disclosed
CN-104277040-A Acyl piperazinone substituent-containing pyrazolopiperidone compound and composition and use thereof GUANGDONG HEC PHARMACEUTICAL 2015-01-14 CN disclosed
CN-104277037-A Spiro-containing pyrazolopiperidone compound and composition and use thereof GUANGDONG HEC PHARMACEUTICAL 2015-01-14 CN disclosed
EP-1140941-B1 NITROGEN CONTAINING HETEROBICYCLES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-10-20 EP disclosed
WO-2004083177-A2 LINEAR CHAIN SUBSTITUTED MONOCYCLIC AND BICYCLIC DERIVATIVES AS FACTOR XA INHIBITORS BRYSTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 WO disclosed
US-20030069237-A1 Nitrogen containing heterobicycles as factor Xa inhibitors FEVIG JOHN M (US) 2003-04-10 US disclosed
EP-1296982-A1 1-(HETEROARYL-PHENYL)-CONDENSED PYRAZOL DERIVATIVES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Pharma Company (US) 2003-04-02 EP disclosed
US-6506771-B2 Anticoagulants BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-01-14 US disclosed
US-20020119986-A1 Heteroaryl- phenyl heterobicyclic factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-08-29 US disclosed
US-6413980-B1 INHIBITORS OF TRYPSIN-LIKE SERINE PROTEASE ENZYMES; ANTICOAGULANTS; THROMBOEMBOLIC DISORDERS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-07-02 US disclosed
WO-2002000655-A1 1 - (HETEROARYL-PHENYL) - CONDENSED PYRAZOL DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-01-03 WO disclosed
EP-1140941-A1 NITROGEN CONTAINING HETEROBICYCLES AS FACTOR XA INHIBITORS Du Pont Pharmaceuticals Company (US) 2001-10-10 EP disclosed
WO-2000039131-A1 NITROGEN CONTAINING HETEROBICYCLES AS FACTOR XA INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 2000-07-06 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030069237-A1 Nitrogen containing heterobicycles as factor Xa inhibitors F12, F11, F10 CRBN 2790/4885NPC1 2063/4885MAPK13 2210/4885
US-20020119986-A1 Heteroaryl- phenyl heterobicyclic factor Xa inhibitors SERPINC1, TFPI, F12 CRBN 3480/4885NPC1 1610/4885MAPK13 2272/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.